S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxy-propan-2-yl] 3-phenylpropanethioate

Systemtic Name: S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxy-propan-2-yl] 3-phenylpropanethioate Openeye Name: S-[(1R)-1-(dimethoxyphosphoryloxymethyl)-2-hexoxy-ethyl] 3-phenylpropanethioate CAS Name: 3-phenylpropanethioic acid S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxypropan-2-yl] ester IUPAC Name: S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxypropan-2-yl] 3-phenylpropanethioate Traditional Name: 3-phenylpropanethioic acid S-[(1R)-1-(dimethoxyphosphoryloxymethyl)-2-hexoxy-ethyl] ester Formula: C20H33O6PS MolecularWeight: 432.511181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(COP(=O)(OC)OC)SC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCOC[C@H](COP(=O)(OC)OC)SC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C20H33O6PS/c1-4-5-6-10-15-25-16-19(17-26-27(22,23-2)24-3)28-20(21)14-13-18-11-8-7-9-12-18/h7-9,11-12,19H,4-6,10,13-17H2,1-3H3/t19-/m1/s1